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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Niobium substitution suppresses the superconducting critical temperature of pressurized MoB 2

A recent study has demonstrated that MoB 2 , transforming to the same structure as MgB 2 (P 6 /mmm), superconducts at temperatures above 30 K near 100 GPa [C. Pei et al., Natl. Sci. Rev. 10, nwad034 (2023)], and Nb substitution in MoB 2 stabilizes the P6/mmm structure down to ambient pressure [A. C. Hire et al., Phys. Rev. B 106, 174515 (2022)]. Here, the current work explores the high-pressure superconducting behavior of Nb-substituted MoB 2 (Nb 0.25 Mo 0.75 B 2 ). High-pressure x-ray diffraction measurements show that the sample remains in the ambient pressure P6/mmm structure to at least 160 GPa. Electrical resistivity measurements demonstrate that from an ambient pressure T c of 8K (confirmed by specific heat to be a bulk effect), the critical temperature is suppressed to 4 K at 50 GPa, before gradually rising to 5.5 K at 170 GPa. The critical temperature at high pressure is thus significantly lower than that found in MoB 2 under pressure (30 K), revealing that Nb substitution results in a strong suppression of the superconducting critical temperature. Our calculations indeed find a reduced electron-phonon coupling in Nb 0.25 Mo 0.75 B 2 , but do not account fully for the observed suppression, which may also arise from inhomogeneity and enhanced spin fluctuations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Probing quantum criticality in ferromagnetic CeRh 6 Ge 4

CeRh 6 Ge 4 is unusual in that its ferromagnetic transition can be suppressed continuously to zero temperature, i.e., to a ferromagnetic quantum-critical point (QCP), through the application of modest hydrostatic pressure. This discovery has raised the possibility that the ferromagnetic QCP may be of the Kondo-breakdown type characterized by a jump in Fermi volume, to which thermopower S measurements should be sensitive. Further, though S/T changes both sign and magnitude around the critical pressure P c ≈ 0.8 GPa, these changes are not abrupt but extend over a pressure interval from within the ferromagnetic state up to P c . Together with temperature and pressure variations in electrical resistivity and previously reported heat capacity, thermopower results point to the near coincidence of two sequential effects near P c , delocalization of 4f degrees of freedom through orbital-selective hybridization followed by quantum criticality of itinerant ferromagnetism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Fluctuation dynamics near the QCD critical point

The evolution of nonhydrodynamic slow processes near the QCD critical point is explored with the novel hydro+ framework, which extends the conventional hydrodynamic description by coupling it to additional explicitly evolving slow modes describing long wavelength fluctuations. Here, their slow relaxation is controlled by critical behavior of the correlation length and is independent from gradients of matter density and pressure that control the evolution of the hydrodynamic quantities. In this exploratory study, we follow the evolution of the slow modes on top of a simplified QCD matter background, allowing us to clearly distinguish and study, both separately and in combination, the main effects controlling the dynamics of critical slow modes. In particular, we show how the evolution of the slow modes depends on their wave number, the expansion of and advection by the fluid background, and the behavior of the correlation length. Nonequilibrium contributions from the slow modes to bulk matter properties that affect the bulk dynamics (entropy, pressure, temperature, and chemical potential) are discussed and found to be small.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Transport coefficients of the quark-gluon plasma at the critical point and across the first-order line

A bottom-up Einstein-Maxwell-dilaton holographic model is used to compute, for the first time, the behavior of several transport coefficients of the hot and baryon-rich strongly coupled quark-gluon plasma at the critical point and also across the first-order phase transition line in the phase diagram. The observables under study are the shear and bulk viscosities, the baryon and thermal conductivities, the baryon diffusion, the jet quenching parameter $\hat{q}$, as well as the heavy-quark drag force and the Langevin diffusion coefficients. These calculations provide a phenomenologically promising estimate for these coefficients, given that our model quantitatively reproduces lattice QCD thermodynamics results, both at zero and finite baryon density, besides naturally incorporating the nearly perfect fluidity of the quark-gluon plasma. Here we find that the diffusion of baryon charge, and also the shear and bulk viscosities, are suppressed with increasing baryon density, indicating that the medium becomes even closer to perfect fluidity at large densities. On the other hand, the jet quenching parameter and the heavy-quark momentum diffusion are enhanced with increasing density. The observables display a discontinuity gap when crossing the first-order phase transition line, while developing an infinite slope at the critical point. The transition temperatures associated with different transport coefficients differ in the crossover region but are found to converge at the critical point.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Anisotropic c – f Hybridization in the Ferromagnetic Quantum Critical Metal CeRh 6 Ge 4

Heavy fermion compounds exhibiting a ferromagnetic quantum critical point have attracted considerable interest. Common to two known cases, i.e., CeRh 6 Ge 4 and YbNi 4 P 2 , is that the 4f moments reside along chains with a large interchain distance, exhibiting strong magnetic anisotropy that was proposed to be vital for the ferromagnetic quantum criticality. Here, we report an angle-resolved photoemission study on CeRh 6 Ge 4 in which we observe sharp momentum-dependent 4f bands and clear bending of the conduction bands near the Fermi level, indicating considerable hybridization between conduction and 4f electrons. The extracted hybridization strength is anisotropic in momentum space and is obviously stronger along the Ce chain direction.The hybridized 4f bands persist up to high temperatures, and the evolution of their intensity shows clear band dependence. Our results provide spectroscopic evidence for anisotropic hybridization between conduction and 4f electrons in CeRh 6 Ge 4 , which could be important for understanding the electronic origin of the ferromagnetic quantum criticality.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

In-Plane Critical Magnetic Fields in Magic-Angle Twisted Trilayer Graphene

It has recently been shown that superconductivity in magic-angle twisted trilayer graphene survives to in-plane magnetic fields that are well in excess of the Pauli limit, and much stronger than the in-plane critical magnetic fields of magic-angle twisted bilayer graphene. The difference is surprising because twisted bilayers and trilayers both support the magic-angle flat bands thought to be the fountainhead of twisted graphene superconductivity. In this study, we show that the difference in critical magnetic fields can be traced to a C 2 M h symmetry in trilayers that survives in-plane magnetic fields, and also relative displacements between top and bottom layers that are not under experimental control at present. An gate electric field breaks the C 2 M h symmetry and therefore limits the in-plane critical magnetic field.

2-dimensional systems↗
DOE OSTI2022

Probing the Critical Nucleus Size in the Metal-Insulator Phase Transition of VO 2

In a first-order phase transition, critical nucleus size governs nucleation kinetics, but the direct experimental test of the theory and determination of the critical nucleation size have been achieved only recently in the case of ice formation in supercooled water. The widely known metal-insulator phase transition (MIT) in strongly correlated VO 2 is a first-order electronic phase transition coupled with a solid-solid structural transformation. It is unclear whether classical nucleation theory applies in such a complex case. Here we directly measure the critical nucleus size of the MIT by introducing size-controlled nanoscale nucleation seeds with focused ion irradiation at the surface of a deeply supercooled metal phase of VO 2 . The results compare favorably with classical nucleation theory and are further explained by phase-field modeling. This Letter validates the application of classical nucleation theory as a parametrizable model to describe phase transitions of strongly correlated electron materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Capping layer influence and isotropic in-plane upper critical field of the superconductivity at the FeSe / SrTiO 3 interface

Understanding the superconductivity at the interface of FeSe/SrTiO 3 is a problem of great contemporary interest due to the significant increase in critical temperature (T c ) compared to that of bulk FeSe, as well as the possibility of an unconventional pairing mechanism and topological superconductivity. We report a study of the influence of a capping layer on superconductivity in thin films of FeSe grown on SrTiO 3 using molecular beam epitaxy. We used in vacuo four-probe electrical resistance measurements and ex situ magnetotransport measurements to examine the effect of three capping layers that provide distinct charge transfer into FeSe: insulating FeTe, nonmetallic Te, and metallic Zr. Our results show that FeTe provides an optimal cap that barely influences the inherent T c found in pristine FeSe/SrTiO 3 , while the transfer of holes from a nonmetallic Te cap completely suppresses superconductivity and leads to insulating behavior. Finally, we used ex situ magnetoresistance measurements in FeTe capped FeSe films to extract the angular dependence of the in-plane upper critical magnetic field. Our observations reveal an almost isotropic in-plane upper critical field, providing insight into the symmetry and pairing mechanism of high-temperature superconductivity in FeSe.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Transitions in the morphology and critical stresses of gliding dislocations in multiprincipal element alloys

Refractory multiprincipal element alloys (MPEAs) are promising material candidates for high-temperature, high-strength applications. However, their deformation mechanisms, particularly at the dislocation scale, are unusual compared to those of conventional alloys, making it challenging to understand the origin of their high strength. Here, using an atomistically informed phase-field dislocation dynamics model, we study transitions in the morphology and critical stresses of long gliding screw dislocations over extended distances in a refractory MPEA. The model MPEA crystal accounts for the atomic-scale fluctuations in chemical composition across the glide planes via spatially correlated lattice energies and for the differences in glide resistances between screw and edge dislocations of unit length. Here, we show that the dislocation moves in a stop-start motion, alternating between wavy morphology in free flight and nearly recovered straight screw orientation in full arrest. The periods of wavy glide are due to variable kink-pair formation and migration rates along the length, where portions with higher rates glide more quickly. The critical stress to initiate motion corresponds to the stress required to form and migrate a kink pair at the weakest region along the length of the dislocation. Heterogeneity in lattice energy leads to variability in the local stress-strain response and to a strain hardening-like response, in which the critical stress to reactivate glide increases with glide distance. Statistical assessment of hundreds of realizations of dislocations indicates that the amount of hardening directly scales with the dispersion in underlying lattice energy.

3-dimensional systems↗
DOE OSTI2024

Quantum critical behavior of the hyperkagome magnet Mn 3 CoSi

β -Mn-type family alloys Mn 3 T X ( T = Co , Rh, and Ir; X = Si and Ge) have a three-dimensional antiferromagnetic (AF) corner-shared triangular network, i.e., the hyperkagome lattice. The antiferromagnet Mn 3 RhSi shows magnetic short-range order over a wide temperature range of approximately 500 K above the Néel temperature T N of 190 K. In this family of compounds, as the lattice parameter decreases, the long-range magnetic ordering temperature decreases. Mn 3 CoSi has the smallest lattice parameter and the lowest T N in the family. The quantum critical point (QCP) from AF to the quantum paramagnetic state is expected near a cubic lattice parameter of 6.15 Å . Although the Néel temperature of Mn 3 CoSi is only 140 K, the emergence of the quantum critical behavior in Mn 3 CoSi is discussed. We study how the magnetic short-range order appears in Mn 3 CoSi by using neutron scattering, μ SR , and bulk characterization such as specific heat capacity. According to the results, the neutron scattering intensity of the magnetic short-range order in Mn 3 CoSi does not change much at low temperatures from that of Mn 3 RhSi , although the μ SR short-range order temperature of Mn 3 CoSi is largely suppressed to 240 K from that of Mn 3 RhSi . Correspondingly, the volume fraction of the magnetic short-range order regions, as shown by the initial asymmetry drop ratio of μ SR above T N , also becomes small. Instead, the electronic-specific heat coefficient γ of Mn 3 CoSi is the largest in this Mn 3 T Si system, possibly due to the low-energy spin fluctuation near the quantum critical point. Published by the American Physical Society 2024

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Lattice QCD constraints on the critical point from an improved precision equation of state

In this paper we employ lattice simulations to search for the critical point of QCD. We search for the onset of a first-order QCD transition on the phase diagram by following contours of constant entropy density from imaginary to real chemical potentials under conditions of strangeness neutrality. We scan the phase diagram and investigate whether these contours meet to determine the probability that the critical point is located in a certain region on the 𝑇−𝜇 𝐵 plane. To achieve this we introduce a new, continuum extrapolated equation of state at zero density with improved precision using lattices with 𝑁 𝜏 =8, 10, 12, 16 time slices, and supplement it with new data at imaginary chemical potential. The current precision allows us to exclude, at the 2⁢𝜎 level, the existence of a critical point at 𝜇 𝐵 <450 MeV.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Two-channel multi-impurity Kondo model: RKKY-induced criticality

We show that the Ruderman-Kittel-Kasua-Yoisida interaction between overscreened spins in two-channel Kondo impurity systems is a relevant perturbation when the number of impurities N is greater than 3 driving the system to a new quantum critical point with anomalous dimensions $\frac{1}{(𝑁+1)}$ for the spin operator and the Sommerfeld coefficient of the specific heat scales as 𝛾 ∼ 𝑇 −$\frac{3}{𝑁+1}$ . The critical point universal properties are relevant to many strong correlation problems, such as impurity placed in a Majorana metal and the multichannel Kondo lattice model of heavy fermion materials. In conclusion, we discuss relevance of our results for cluster DMFT studies of quantum criticality.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

A Pulse Generation Framework with Augmented Program-aware Basis Gates and Criticality Analysis

Near-term intermediate scale quantum (NISQ) de- vices are subject to considerable noise and short coherence time. Consequently, it is critical to minimize circuit execution latency. Traditionally, each basis gate of a transpiled circuit is decoded into a fixed episode of the device control pulses. Recently, people started to investigate merged pulse generation for customized gates through quantum optimal control (QOC). However, existing QOC approaches face the challenges of (i) restricted search space due to prohibitive compilation overhead; (ii) suboptimal end-to-end performance due to aggressive local optimization and falsely introduced dependency among the customized gates; (iii) inadequate adaptivity towards system calibration, which is critical for NISQ devices. In this work, we propose PAQOC, a novel QOC framework that can (i) automatically detect frequently encountered gate patterns in the logical circuit by modeling the problem as a subgraph mining process and reuse these patterns to enable much larger search space exploration (i.e., program aware); (ii) systemically construct customized gate-set based on the impact to the overall program latency (i.e., criticality-aware); and (iii) quickly adapt to system re-calibration thanks to the small-scale pattern-based gate generation (i.e., adaptivity-aware). PAQOC achieves a good tradeoff between circuit performance and compilation time, allowing fully automatic, single stop, ad- hoc customized pulse generation for more efficient execution of user programs on NISQ devices. Evaluations using fifteen applications show that PAQOC can achieve on average 1.95× speedup of the circuit latency and achieve on average 36.7% reduction in compilation overhead. With PAQOC, circuits can run faster with reduced noise, allowing deeper circuits to be tested within the coherence time of present NISQ platforms.

Chen, Yanhao↗
DOE OSTI2024

Enhancing Distribution System Resilience: A First-Order Meta-RL Algorithm for Critical Load Restoration

The increasing frequency of extreme events and the integration of distributed energy resources (DERs) into modern grids have elevated the need for resilient and efficient critical load restoration strategies in distribution systems. However, the stochastic nature of renewable DERs, limited energy resource availability and the intricate nonlinearities inherent in complex grid control problem make the problem challenging. Although reinforcement learning (RL) and warm-start RL methods have shown promising results, their performance often falls short in rapidly adapting to new, unseen situations and typically requires exhaustive problem-specific tuning. To address these gaps, we propose a First-Order Meta-based RL (FOM-RL) algorithm within an online framework for adaptive and robust critical load restoration. By harnessing local DERs as the enabling technology, FOM-RL allows the RL agent to swiftly adapt to new unseen scenarios by leveraging previously acquired knowledge of different tasks. Experimental results provide evidence that proposed algorithm learns more efficiently and showcases generalization capabilities across diverse set of operational scenarios. Moreover, a rigorous theoretical analysis yields a tight sublinear regret bound, sensitive to temporal variability, with a task-averaged optimality gap bounded by O(VM+D*/(Tsquare root(M))). These results suggest that optimality improves with task similarity and an increased number of tasks M, reaffirming the efficacy and scalability of the proposed approach in addressing the complexities of critical load restoration in distribution systems.

complexity theory↗
DOE OSTI2020

Critical habitat identification of peripheral Sage Thrashers under climate change

Abstract The Sage Thrasher ( Oreoscoptes montanus ) has been assessed as “Endangered” in Canada since 1992. Like other species with a geographic range that barely extends into Canada, Sage Thrashers are rare. Thirty‐one percent of Canada's bird species listed for recovery under the Canadian Species at Risk Act (SARA) are at the periphery of their range. A listing of “endangered” under SARA requires identification of critical habitat for the species. With anticipated climate change, recovery of species requires a more proactive intervention than relying on historical occurrence to locate suitable habitat. We synthesized 19 years of Sage Thrasher occurrence and related habitat data across the species' northern range in British Columbia (BC) and Washington (WA) to define critical habitat characteristics. We found Sage Thrashers selected less leaf litter and less grass cover in flat or low‐slope regions farther from anthropogenic or natural habitat breaks; habitat sensitive to the expected climate change impacts of fire, changes in precipitation, and invasive species establishment. By augmenting the BC data collected in the species' peripheral range with data from their core distribution in WA, we identified key habitat elements of an otherwise data‐poor species that do not breed in sufficient numbers in Canada to reliably characterize their habitat. These methods improve the identification of “critical habitat” for peripheral species like Sage Thrashers in preparation for climate‐induced range expansion northward. The framework developed demonstrates a useful template for conservation strategies for data‐limited peripheral populations in other regions. Focusing on the landscape‐level variables that indicate good habitat, and not the locations of habitat, can identify suitable future areas for conservation.

Millikin, Rhonda L.↗
DOE OSTI2022

Tailoring critical Al concentration to form external Al 2 O 3 scale on Ni–Al alloys by computational approach

Abstract Nickel (Ni)‐based superalloys for high‐temperature applications are often designed to form a continuous and slow‐growing oxide scale by adding Al and Cr and other beneficial elements. In the present work, the critical Al concentration in Ni–Al alloys needed to establish an α‐Al 2 O 3 scale in contrast to internal oxide formation is predicted as a function of temperature by means of the CALPHAD approach coupled with models in the literature, which account for the thermodynamics and kinetics of oxidation. The present thermodynamic remodeling of the Ni–O system results in a better agreement with experimental data of oxygen solubility in Ni at high temperatures. The oxygen solubility is combined with kinetic parameters to determine oxygen permeability in Ni, and the critical Al concentration needed to establish an α‐Al 2 O 3 scale at a given exposure temperature. Good agreement is found with available experimental data for both oxygen permeability and critical Al concentration, indicating the capacity of the CALPHAD approach to tailor oxidation resistance for materials of interest using thermodynamic and kinetic knowledge.

Ross, Austin↗
DOE OSTI2023

Critical Evaluation of a Novel Analysis Technique for Assessment of Printed Circuit Heat Exchangers in High-Temperature Nuclear Service

Application of printed circuit heat exchangers (PCHEs) to very high-temperature reactors (VHTRs) requires mechanical performance assessment methodologies. The PCHE morphology consists of thousands of millimeter-scale channels, for enhanced thermal efficiency, enclosed in a meter-scale PCHE core. PCHE geometry under thermomechanical creep-fatigue transients results in multi-axial interactions between its different segments, such as channeled core, walls, and headers. These global-level interactions influence the local channel-level responses. Hence, developing a PCHE performance assessment methodology, following the ASME Code, Section III, Division 5 provisions, is a critical gap to be filled. There is no analysis or design methodology available in ASME Code to assess a PCHE for its global and local level performances under high temperature and pressure loadings. This paper critically evaluates a recently proposed two-step analysis technique to estimate global interactions and local channel-level responses of PCHEs. In this novel analysis technique, the channeled PCHE core is replaced with orthotropic solid blocks of representative stiffness properties for the global thermomechanical analysis. Here, subsequent channel scale submodel analysis with detailed channel geometry, loading, and elastic-perfectly plastic (EPP) material model estimates the local responses for PCHE performance assessment. This paper critically evaluates this novel technique for its effectiveness in PCHE performance assessment. Finite element (FE) models imitating various analysis issues are developed, and FE analysis results are scrutinized. An important outcome of this study is the validation of the novel two-step PCHE analysis technique for application to the performance assessment of PCHEs in VHTRs.

42 ENGINEERING↗
DOE OSTI2024

Characterization of latent image of electron beam resist via critical-dimension resonant soft X-ray scattering

Metrology plays a crucial role in semiconductor manufacturing by providing accurate and precise measurement and characterization of critical parameters. With the development of high-resolution extreme ultraviolet lithography (EUVL) processes, critical dimensions are shrinking to sub-10 nm. Resist materials encounter the challenge of providing heightened sensitivity and a handle on exacerbating stochastic variations. A comprehensive understanding of the chemical profile of the latent image is pivotal for mitigating stochastic effects and optimizing pattern quality. However, the subtle differences in chemistry between the exposed and unexposed regions of the resists make it extremely challenging to characterize the latent images with sub-nanometer precision. Here, we develop the metrology with critical-dimension resonant soft X-ray scattering (CD-RSoXS) to probe the chemical profiles of latent images stored in resist after exposure. The combination of absorption spectroscopy and enhanced scattering contrast makes it possible to characterize the subtle structural and chemical variations in the latent image. Moreover, the results of the measurements are compared with the simulations with a finite element method–based Maxwell solver to extract a detailed profile of the latent and developed images. We demonstrate that the CD-RSoXS technique can provide valuable insights into the high spatial resolution and local chemical sensitivity simultaneously, which is crucial to understanding the resolution limits and stochastic effects in EUVL processes.

36 MATERIALS SCIENCE↗